5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide

C17H16N4O4 — CID 60516598

IUPAC5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H16N4O4/c1-10(2)25-13-6-3-11(4-7-13)18-17(22)16-14-9-12(21(23)24)5-8-15(14)19-20-16/h3-10H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGEGPCDITOHJPPB-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.51
Rot. Bonds5

About 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide

5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 60516598) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
PubChem CID60516598
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H16N4O4/c1-10(2)25-13-6-3-11(4-7-13)18-17(22)16-14-9-12(21(23)24)5-8-15(14)19-20-16/h3-10H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGEGPCDITOHJPPB-UHFFFAOYSA-N
XLogP3.51
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
(2R)-3-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]butanoic acid
CID 119368722
N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-(4-hydroxy-2,2-dimethylpentyl)-5-nitro-1H-indazole-3-carboxamide
CID 111480035
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 55979677
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060274

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide (CID 60516598) is 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide?
The InChIKey is GEGPCDITOHJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10(2)25-13-6-3-11(4-7-13)18-17(22)16-14-9-12(21(23)24)5-8-15(14)19-20-16/h3-10H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide?
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60516598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).